#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nnv n THR 2 N 0.00 0.00 0.03 1.12 -1.04 -1.26 -4.43 114.28 108.70 1nnv n THR 2 Ca 0.00 -0.15 -0.18 0.00 -2.04 0.00 0.00 64.05 61.69 1nnv n THR 2 Cb 0.00 0.93 -0.14 0.00 -1.82 0.00 0.00 70.33 69.30 1nnv n THR 2 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nnv h THR 3 N 0.00 0.90 0.29 12.58 1.03 -2.03 -3.38 112.91 122.30 1nnv h THR 3 Ca 0.00 -2.59 -0.01 0.00 -0.01 0.00 0.00 66.41 63.80 1nnv h THR 3 Cb 0.40 2.62 -0.00 0.00 -1.07 0.00 0.00 68.15 70.10 1nnv h THR 3 CO 0.00 0.79 -0.16 -0.08 -0.01 0.00 0.00 175.52 176.06 1nnv h GLU 4 N 0.06 -0.41 -5.94 0.00 4.57 -2.06 -3.42 114.58 107.38 1nnv h GLU 4 Ca -0.32 0.03 -0.65 0.00 -1.18 0.00 0.00 59.36 57.23 1nnv h GLU 4 Cb 2.03 0.09 -0.09 0.00 -0.16 0.00 0.00 28.75 30.63 1nnv h GLU 4 CO 0.13 -0.27 -0.56 0.42 -1.18 0.00 0.00 179.01 177.55 1nnv s ILE 5 N -6.12 4.89 0.20 2.32 1.01 -1.26 -5.11 121.20 117.13 1nnv s ILE 5 Ca -0.15 -0.30 -0.13 0.00 0.00 0.00 0.00 60.65 60.06 1nnv s ILE 5 Cb 0.05 -3.22 -0.07 0.00 0.01 0.00 0.00 42.46 39.23 1nnv s ILE 5 CO 0.64 0.38 0.57 -1.59 0.00 0.00 0.00 174.94 174.95 1nnv s LYS 6 N -1.66 3.93 0.42 2.79 -2.85 -1.26 -4.76 119.74 116.35 1nnv s LYS 6 Ca 0.22 0.45 0.05 0.00 -1.00 0.00 0.00 55.97 55.69 1nnv s LYS 6 Cb -0.12 -2.78 0.07 0.00 -2.06 0.00 0.00 37.83 32.94 1nnv s LYS 6 CO 0.13 0.39 0.58 0.36 0.10 0.00 0.00 175.35 176.91 1nnv n LYS 7 N 0.36 0.59 -4.40 1.78 2.85 -1.26 -4.22 118.16 113.86 1nnv n LYS 7 Ca -0.02 -2.06 -0.25 0.00 -1.05 0.00 0.00 58.31 54.92 1nnv n LYS 7 Cb 0.52 -0.23 -0.11 0.00 -0.65 0.00 0.00 35.03 34.56 1nnv n LYS 7 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1nnv s LEU 8 N 0.00 2.46 0.33 -5.58 1.43 -1.26 -4.98 118.68 111.07 1nnv s LEU 8 Ca 0.42 -0.89 -0.19 0.00 -1.03 0.00 0.00 54.13 52.44 1nnv s LEU 8 Cb -0.03 -1.05 -0.09 0.00 0.03 0.00 0.00 46.19 45.05 1nnv s LEU 8 CO 0.27 0.06 0.82 -1.81 0.23 0.00 0.00 176.35 175.92 1nnv s ASP 9 N -2.80 6.97 0.13 2.29 1.11 -1.26 -4.90 116.67 118.22 1nnv s ASP 9 Ca 0.21 1.51 -0.26 0.00 0.18 0.00 0.00 52.55 54.18 1nnv s ASP 9 Cb -0.07 -2.46 -0.04 0.00 1.07 0.00 0.00 42.92 41.43 1nnv s ASP 9 CO 0.10 -0.17 1.62 -0.65 1.18 0.00 0.00 175.17 177.25 1nnv h PRO 10 N 2.59 -0.40 0.00 8.23 0.11 -2.00 0.40 132.00 140.92 1nnv h PRO 10 Ca -0.48 0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 1nnv h PRO 10 Cb 1.18 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1nnv h PRO 10 CO 0.64 -0.27 -0.29 0.22 -0.21 0.00 0.00 178.00 178.09 1nnv h ASP 11 N -0.42 0.00 -0.10 -2.05 3.58 -2.00 -2.43 116.42 113.01 1nnv h ASP 11 Ca 0.08 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.42 1nnv h ASP 11 Cb 0.54 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.59 1nnv h ASP 11 CO -0.30 0.29 -0.36 0.74 -2.88 0.00 0.00 179.24 176.73 1nnv h THR 12 N 0.00 1.39 -0.71 2.25 2.02 -1.68 -1.93 112.91 114.24 1nnv h THR 12 Ca -0.00 -1.71 -0.03 0.00 0.77 0.00 0.00 66.41 65.44 1nnv h THR 12 Cb 0.55 2.21 -0.03 0.00 -1.74 0.00 0.00 68.15 69.13 1nnv h THR 12 CO 0.04 0.50 0.31 0.00 0.37 0.00 0.00 175.52 176.74 1nnv h ALA 13 N 0.47 1.21 0.46 6.16 0.00 -0.11 -2.64 119.26 124.82 1nnv h ALA 13 Ca -0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1nnv h ALA 13 Cb 1.00 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1nnv h ALA 13 CO 0.08 0.59 -0.22 0.82 0.00 0.00 0.00 179.25 180.52 1nnv h ILE 14 N 1.02 0.29 -0.90 0.00 2.04 -1.46 -0.29 117.51 118.19 1nnv h ILE 14 Ca 0.24 -0.55 0.24 0.00 1.00 0.00 0.00 64.86 65.79 1nnv h ILE 14 Cb 0.15 0.43 -0.16 0.00 -0.74 0.00 0.00 36.82 36.51 1nnv h ILE 14 CO -0.03 0.06 0.10 -0.78 0.00 0.00 0.00 178.15 177.50 1nnv h ASP 15 N -1.04 -0.28 -0.11 1.72 3.58 -1.32 0.81 116.42 119.77 1nnv h ASP 15 Ca -0.06 0.24 -0.21 0.00 0.42 0.00 0.00 57.03 57.42 1nnv h ASP 15 Cb 0.56 0.38 0.01 0.00 1.72 0.00 0.00 39.33 42.00 1nnv h ASP 15 CO 0.10 -0.26 -0.71 0.40 -2.88 0.00 0.00 179.24 175.89 1nnv h ILE 16 N 0.09 1.29 -0.02 2.25 2.04 -1.50 -2.76 117.51 118.90 1nnv h ILE 16 Ca 0.55 -1.94 -0.00 0.00 1.00 0.00 0.00 64.86 64.48 1nnv h ILE 16 Cb 1.12 1.91 -0.00 0.00 -0.74 0.00 0.00 36.82 39.11 1nnv h ILE 16 CO -0.78 0.61 0.01 0.00 0.00 0.00 0.00 178.15 177.99 1nnv h ALA 17 N 0.65 0.02 -0.72 1.87 0.00 0.17 -1.30 119.26 119.97 1nnv h ALA 17 Ca -0.03 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.92 1nnv h ALA 17 Cb 1.33 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 1nnv h ALA 17 CO 0.15 -0.45 0.39 -0.92 0.00 0.00 0.00 179.25 178.42 1nnv h TYR 18 N -0.03 0.71 -0.49 0.00 5.03 0.31 -0.02 116.97 122.49 1nnv h TYR 18 Ca 0.01 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.33 1nnv h TYR 18 Cb 0.06 -0.21 -0.02 0.00 1.55 0.00 0.00 36.73 38.10 1nnv h TYR 18 CO -0.06 0.31 0.24 0.22 -1.32 0.00 0.00 178.16 177.55 1nnv h ASP 19 N 0.69 0.61 -0.27 -2.11 1.82 -1.18 -2.47 116.42 113.53 1nnv h ASP 19 Ca 0.34 -0.05 -0.04 0.00 -0.39 0.00 0.00 57.03 56.88 1nnv h ASP 19 Cb 0.27 -0.16 -0.01 0.00 0.68 0.00 0.00 39.33 40.11 1nnv h ASP 19 CO -0.22 0.52 -0.00 0.40 -1.61 0.00 0.00 179.24 178.33 1nnv h ILE 20 N 0.69 1.26 0.42 2.25 2.04 0.13 -2.34 117.51 121.96 1nnv h ILE 20 Ca 0.17 -0.92 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 1nnv h ILE 20 Cb 0.07 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1nnv h ILE 20 CO -0.02 0.29 -0.50 0.15 0.00 0.00 0.00 178.15 178.06 1nnv h PHE 21 N 0.25 -1.41 0.00 1.37 3.57 -0.77 0.37 116.94 120.32 1nnv h PHE 21 Ca 0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1nnv h PHE 21 Cb 0.42 0.56 0.00 0.00 2.79 0.00 0.00 35.95 39.72 1nnv h PHE 21 CO 0.04 -0.65 0.00 1.28 -2.23 0.00 0.00 178.31 176.74 1nnv n LEU 22 N -5.55 0.58 -0.09 0.59 7.99 -1.01 -0.86 117.00 118.65 1nnv n LEU 22 Ca -0.11 0.71 -0.10 0.00 -0.01 0.00 0.00 56.01 56.50 1nnv n LEU 22 Cb 0.45 -0.72 -0.04 0.00 -0.11 0.00 0.00 43.42 43.00 1nnv n LEU 22 CO 0.25 -0.78 -0.56 1.21 -1.51 0.00 0.00 177.39 176.00 1nnv n GLU 23 N -2.21 0.50 0.09 3.23 2.13 -0.59 -4.70 120.64 119.09 1nnv n GLU 23 Ca 0.00 0.42 -0.21 0.00 0.66 0.00 0.00 57.16 58.03 1nnv n GLU 23 Cb 0.11 -1.61 -0.15 0.00 0.27 0.00 0.00 31.44 30.06 1nnv n GLU 23 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1nnv h MET 24 N -1.00 0.39 -6.82 5.31 -0.00 -0.33 -3.47 114.93 109.00 1nnv h MET 24 Ca -0.11 -0.66 -0.57 0.00 -0.00 0.00 0.00 59.70 58.36 1nnv h MET 24 Cb 0.85 0.25 0.17 0.00 -0.00 0.00 0.00 31.60 32.87 1nnv h MET 24 CO -0.07 1.29 0.02 0.00 -0.00 0.00 0.00 176.91 178.16 1nnv n ALA 25 N -2.75 -0.21 0.00 -3.00 0.00 -0.04 -4.66 120.51 109.85 1nnv n ALA 25 Ca -0.19 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1nnv n ALA 25 Cb 1.07 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1nnv n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nnv n GLY 26 N 1.32 0.10 0.00 0.00 0.00 -1.26 -4.86 105.19 100.49 1nnv n GLY 26 Ca 0.13 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.09 1nnv n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nnv n GLU 27 N 0.00 0.45 0.00 1.61 1.02 -1.26 -2.40 120.64 120.06 1nnv n GLU 27 Ca 0.00 0.05 0.11 0.00 -0.02 0.00 0.00 57.16 57.31 1nnv n GLU 27 Cb 0.00 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 29.95 1nnv n GLU 27 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1nnv n ASN 28 N -1.18 1.69 -0.05 1.62 4.13 -1.26 -4.26 115.26 115.94 1nnv n ASN 28 Ca 0.12 -1.32 -0.00 0.00 1.68 0.00 0.00 54.58 55.07 1nnv n ASN 28 Cb 0.14 0.52 -0.14 0.00 -1.54 0.00 0.00 39.78 38.76 1nnv n ASN 28 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1nnv n LEU 29 N -0.39 0.00 0.00 3.41 0.00 -1.01 -4.79 117.00 114.22 1nnv n LEU 29 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.10 1nnv n LEU 29 Cb 0.43 0.22 0.00 0.00 0.00 0.00 0.00 43.42 44.07 1nnv n LEU 29 CO 0.31 0.22 0.00 -0.67 0.00 0.00 0.00 177.39 177.25 1nnv n ASP 30 N -2.39 0.00 -0.26 1.96 -0.08 -1.21 -3.93 116.55 110.63 1nnv n ASP 30 Ca -0.16 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.01 1nnv n ASP 30 Cb 0.78 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 44.16 1nnv n ASP 30 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1nnv h PRO 31 N 0.00 -0.20 -0.22 -0.67 0.13 -1.91 0.15 132.00 129.28 1nnv h PRO 31 Ca 0.00 0.01 0.04 0.00 -0.87 0.00 0.00 66.00 65.19 1nnv h PRO 31 Cb 0.00 0.05 -0.07 0.00 0.13 0.00 0.00 31.00 31.10 1nnv h PRO 31 CO 0.00 -0.13 -0.49 0.00 -0.23 0.00 0.00 178.00 177.14 1nnv h ALA 32 N 0.36 -0.72 -0.24 -0.56 0.00 -1.98 0.62 119.26 116.74 1nnv h ALA 32 Ca 0.14 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1nnv h ALA 32 Cb 0.53 0.94 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1nnv h ALA 32 CO -0.75 -1.00 0.19 -0.44 0.00 0.00 0.00 179.25 177.24 1nnv h ASP 33 N -0.49 0.00 -0.00 0.00 3.32 -1.65 -1.41 116.42 116.18 1nnv h ASP 33 Ca 0.07 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1nnv h ASP 33 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1nnv h ASP 33 CO -0.47 0.00 -0.01 0.40 -1.72 0.00 0.00 179.24 177.44 1nnv h ILE 34 N 0.00 1.46 -0.15 0.35 2.04 0.23 -2.76 117.51 118.68 1nnv h ILE 34 Ca 0.11 -1.37 0.02 0.00 1.00 0.00 0.00 64.86 64.62 1nnv h ILE 34 Cb 0.49 2.38 -0.03 0.00 -0.74 0.00 0.00 36.82 38.92 1nnv h ILE 34 CO -0.00 0.36 -0.20 0.25 0.00 0.00 0.00 178.15 178.55 1nnv h LEU 35 N -0.56 -0.68 -1.50 1.44 5.85 0.12 0.40 115.31 120.37 1nnv h LEU 35 Ca 0.00 0.09 0.16 0.00 0.84 0.00 0.00 57.88 58.97 1nnv h LEU 35 Cb 0.59 0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.84 1nnv h LEU 35 CO 0.00 -0.15 0.54 0.25 -0.34 0.00 0.00 178.44 178.74 1nnv h LEU 36 N -0.15 0.45 -0.97 2.25 5.85 -1.60 0.14 115.31 121.28 1nnv h LEU 36 Ca 0.03 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 1nnv h LEU 36 Cb 0.22 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1nnv h LEU 36 CO -0.22 0.23 -0.37 0.15 -0.34 0.00 0.00 178.44 177.89 1nnv h PHE 37 N 0.48 0.33 0.00 1.25 3.57 -0.77 -2.83 116.94 118.96 1nnv h PHE 37 Ca 0.40 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.82 1nnv h PHE 37 Cb 0.87 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.53 1nnv h PHE 37 CO -0.00 0.62 -0.01 -0.91 -2.23 0.00 0.00 178.31 175.78 1nnv h ASN 38 N 0.24 0.00 -0.25 0.41 -0.26 0.23 -3.35 115.58 112.60 1nnv h ASN 38 Ca 0.03 0.00 0.07 0.00 -0.56 0.00 0.00 56.30 55.84 1nnv h ASN 38 Cb 0.77 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.02 1nnv h ASN 38 CO 0.06 0.40 0.41 -0.07 -1.06 0.00 0.00 177.43 177.17 1nnv h LEU 39 N -0.78 0.00 -7.06 1.61 -0.00 -1.26 -3.38 115.31 104.44 1nnv h LEU 39 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.58 1nnv h LEU 39 Cb 0.01 0.00 -0.36 0.00 -0.00 0.00 0.00 40.66 40.31 1nnv h LEU 39 CO 0.00 0.00 -0.63 0.00 -0.00 0.00 0.00 178.44 177.81 1nnv s GLN 40 N -4.41 0.11 0.09 1.13 0.00 -1.07 -4.95 119.66 110.56 1nnv s GLN 40 Ca -0.04 0.41 0.00 0.00 -0.00 0.00 0.00 55.36 55.73 1nnv s GLN 40 Cb 0.13 -0.69 0.00 0.00 0.00 0.00 0.00 33.01 32.44 1nnv s GLN 40 CO 0.44 -0.46 0.00 0.34 0.00 0.00 0.00 175.29 175.61 1nnv n PHE 41 N 5.32 -2.16 -0.08 9.60 7.35 -1.26 -4.40 117.46 131.84 1nnv n PHE 41 Ca -0.05 0.32 0.05 0.00 -0.76 0.00 0.00 57.45 57.01 1nnv n PHE 41 Cb 0.50 1.03 0.40 0.00 0.35 0.00 0.00 39.48 41.76 1nnv n PHE 41 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1nnv h GLU 42 N 0.00 0.62 0.04 -4.13 4.81 -1.89 1.14 114.58 115.16 1nnv h GLU 42 Ca 0.00 -0.04 -0.30 0.00 -0.13 0.00 0.00 59.36 58.90 1nnv h GLU 42 Cb 0.00 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 1nnv h GLU 42 CO 0.00 0.41 -1.62 -1.91 -0.73 0.00 0.00 179.01 175.16 1nnv n GLU 43 N -4.47 0.63 -2.65 1.92 2.13 -1.26 -4.56 120.64 112.38 1nnv n GLU 43 Ca 0.06 0.45 -0.27 0.00 0.66 0.00 0.00 57.16 58.06 1nnv n GLU 43 Cb 0.14 -1.71 -0.01 0.00 0.27 0.00 0.00 31.44 30.13 1nnv n GLU 43 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1nnv n ARG 44 N -4.11 3.37 -4.14 5.31 1.74 -1.17 -4.84 116.66 112.82 1nnv n ARG 44 Ca -0.34 -4.63 -0.33 0.00 -0.77 0.00 0.00 57.85 51.77 1nnv n ARG 44 Cb 0.81 -2.25 -0.16 0.00 -1.02 0.00 0.00 32.46 29.85 1nnv n ARG 44 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1nnv s GLY 45 N -3.46 1.41 -0.08 -0.13 0.00 0.39 -3.75 107.32 101.69 1nnv s GLY 45 Ca 0.48 -1.20 -0.07 0.00 0.00 0.00 0.00 44.72 43.93 1nnv s GLY 45 CO -0.17 0.27 0.21 -0.32 0.00 0.00 0.00 173.10 173.09 1nnv s GLY 46 N 1.27 -0.14 -0.14 0.20 0.00 -1.26 -4.91 107.32 102.33 1nnv s GLY 46 Ca 0.04 0.67 0.02 0.00 0.00 0.00 0.00 44.72 45.45 1nnv s GLY 46 CO -0.11 0.69 -0.19 -1.34 0.00 0.00 0.00 173.10 172.14 1nnv s VAL 47 N 0.41 2.34 -0.13 1.40 -7.23 -1.26 -3.59 120.40 112.33 1nnv s VAL 47 Ca -0.02 -0.89 -0.03 0.00 -1.81 0.00 0.00 61.98 59.23 1nnv s VAL 47 Cb -0.04 -1.95 -0.03 0.00 0.56 0.00 0.00 36.38 34.92 1nnv s VAL 47 CO -0.02 0.54 -0.03 -0.70 -0.31 0.00 0.00 175.10 174.58 1nnv s GLU 48 N 0.73 3.46 0.10 4.82 2.56 -1.01 -4.97 118.70 124.39 1nnv s GLU 48 Ca -0.08 -0.49 -0.22 0.00 0.00 0.00 0.00 54.97 54.18 1nnv s GLU 48 Cb -0.16 -2.87 -0.07 0.00 2.00 0.00 0.00 34.13 33.03 1nnv s GLU 48 CO 0.01 0.38 0.65 0.12 -0.56 0.00 0.00 175.26 175.85 1nnv s PHE 49 N -0.01 3.83 0.35 5.30 5.36 -1.26 -0.82 117.98 130.73 1nnv s PHE 49 Ca 0.01 1.40 0.04 0.00 -0.96 0.00 0.00 56.93 57.42 1nnv s PHE 49 Cb -0.13 -2.61 -0.03 0.00 -0.34 0.00 0.00 43.02 39.91 1nnv s PHE 49 CO 0.02 0.54 0.15 0.14 -1.46 0.00 0.00 175.22 174.61 1nnv s VAL 50 N -1.04 0.49 0.07 3.12 -7.23 0.16 -4.94 120.40 111.04 1nnv s VAL 50 Ca 0.32 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.54 1nnv s VAL 50 Cb -0.21 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 1nnv s VAL 50 CO 0.21 0.00 -0.07 -0.70 -0.31 0.00 0.00 175.10 174.24 1nnv s GLU 51 N -3.75 2.36 0.99 4.82 2.12 -1.26 -2.70 118.70 121.28 1nnv s GLU 51 Ca 0.31 -0.89 -0.17 0.00 0.36 0.00 0.00 54.97 54.58 1nnv s GLU 51 Cb 0.04 -2.42 -0.13 0.00 0.26 0.00 0.00 34.13 31.88 1nnv s GLU 51 CO 0.17 0.54 -0.69 2.41 -0.54 0.00 0.00 175.26 177.15 1nnv n THR 52 N 0.91 0.00 -2.11 -1.70 -1.04 -1.24 -4.85 114.28 104.26 1nnv n THR 52 Ca -0.13 -0.43 0.00 0.00 -2.04 0.00 0.00 64.05 61.45 1nnv n THR 52 Cb 0.52 -0.09 0.00 0.00 -1.82 0.00 0.00 70.33 68.95 1nnv n THR 52 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nnv n ALA 53 N -2.73 0.00 -1.02 2.41 0.00 -1.26 -4.80 120.51 113.12 1nnv n ALA 53 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.21 1nnv n ALA 53 Cb 0.57 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.07 1nnv n ALA 53 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nnv n ASP 54 N -0.42 6.80 -0.88 0.00 9.92 -1.26 -4.37 116.55 126.34 1nnv n ASP 54 Ca 0.00 -3.28 0.00 0.00 -0.53 0.00 0.00 54.79 50.98 1nnv n ASP 54 Cb 0.00 -1.03 0.00 0.00 -0.64 0.00 0.00 41.12 39.45 1nnv n ASP 54 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1nnv n ASP 55 N -0.04 -3.26 -2.40 -2.24 8.00 -1.26 -4.99 116.55 110.37 1nnv n ASP 55 Ca 0.40 0.26 -0.19 0.00 0.71 0.00 0.00 54.79 55.97 1nnv n ASP 55 Cb 0.61 -1.73 0.02 0.00 -0.02 0.00 0.00 41.12 40.00 1nnv n ASP 55 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 1nnv n TRP 56 N 0.34 2.53 -0.55 1.24 4.27 -1.26 -4.98 117.44 119.02 1nnv n TRP 56 Ca 0.00 -2.61 -0.42 0.00 -3.89 0.00 0.00 57.50 50.59 1nnv n TRP 56 Cb 0.00 -0.24 -0.11 0.00 -1.36 0.00 0.00 31.31 29.60 1nnv n TRP 56 CO 0.00 0.00 0.00 0.39 -2.29 0.00 0.00 177.69 175.79 1nnv n GLU 57 N -0.52 0.00 0.00 -2.67 1.02 -1.26 -2.74 120.64 114.47 1nnv n GLU 57 Ca 0.32 -0.95 0.00 0.00 -0.02 0.00 0.00 57.16 56.51 1nnv n GLU 57 Cb 0.81 -2.43 0.00 0.00 -0.02 0.00 0.00 31.44 29.81 1nnv n GLU 57 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1nnv n GLU 58 N 7.72 0.00 0.03 3.49 4.71 -1.26 -4.82 120.64 130.50 1nnv n GLU 58 Ca 0.44 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.58 1nnv n GLU 58 Cb 0.41 -0.05 -0.01 0.00 -1.01 0.00 0.00 31.44 30.79 1nnv n GLU 58 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1nnv h GLU 59 N 0.00 -0.08 0.05 3.49 4.39 -1.95 -3.39 114.58 117.08 1nnv h GLU 59 Ca 0.00 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1nnv h GLU 59 Cb 0.00 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1nnv h GLU 59 CO 0.00 -0.05 -0.02 -0.84 -1.16 0.00 0.00 179.01 176.93 1nnv h ILE 60 N -0.22 1.27 -0.58 3.13 3.07 -1.95 -3.50 117.51 118.73 1nnv h ILE 60 Ca -0.01 -1.09 0.00 0.00 1.55 0.00 0.00 64.86 65.31 1nnv h ILE 60 Cb 0.07 1.98 0.00 0.00 -0.27 0.00 0.00 36.82 38.59 1nnv h ILE 60 CO 0.01 0.27 0.00 0.61 -1.05 0.00 0.00 178.15 178.00 1nnv n GLY 61 N 0.21 0.56 0.00 0.16 0.00 -1.26 -5.08 105.19 99.77 1nnv n GLY 61 Ca -0.08 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1nnv n GLY 61 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1nnv n VAL 62 N -0.17 0.00 -1.67 1.61 3.14 -1.26 -5.02 118.33 114.96 1nnv n VAL 62 Ca 0.00 0.00 -0.54 0.00 -2.96 0.00 0.00 64.34 60.84 1nnv n VAL 62 Cb 0.07 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.79 1nnv n VAL 62 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1nnv n LEU 63 N 0.00 2.48 -4.67 6.55 4.77 -1.26 -4.47 117.00 120.40 1nnv n LEU 63 Ca 0.00 1.07 -0.35 0.00 -0.03 0.00 0.00 56.01 56.70 1nnv n LEU 63 Cb 0.00 -1.22 -0.09 0.00 -2.33 0.00 0.00 43.42 39.78 1nnv n LEU 63 CO 0.00 -0.49 -0.25 -0.63 -1.33 0.00 0.00 177.39 174.70 1nnv s ILE 64 N 2.73 4.84 -0.27 -0.08 -1.09 -1.26 -5.06 121.20 121.00 1nnv s ILE 64 Ca 0.93 -0.02 -0.00 0.00 -2.23 0.00 0.00 60.65 59.32 1nnv s ILE 64 Cb -0.94 -3.16 0.05 0.00 -1.58 0.00 0.00 42.46 36.83 1nnv s ILE 64 CO 0.56 0.49 -0.06 -0.62 -1.23 0.00 0.00 174.94 174.09 1nnv s ASP 65 N 0.08 4.53 0.69 3.58 -1.08 -1.26 -4.60 116.67 118.62 1nnv s ASP 65 Ca 0.06 -1.18 -0.16 0.00 -0.52 0.00 0.00 52.55 50.75 1nnv s ASP 65 Cb -0.12 -1.64 0.02 0.00 -1.46 0.00 0.00 42.92 39.72 1nnv s ASP 65 CO 0.01 -0.19 1.21 -2.16 0.52 0.00 0.00 175.17 174.55 1nnv s PRO 66 N 1.23 2.37 0.00 4.34 0.04 -1.26 -2.65 135.00 139.07 1nnv s PRO 66 Ca -0.05 1.79 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1nnv s PRO 66 Cb -0.19 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1nnv s PRO 66 CO -0.04 -1.66 0.00 0.39 0.04 0.00 0.00 177.00 175.73 1nnv n GLU 67 N -2.41 -1.73 -0.00 4.56 1.02 -1.26 -4.68 120.64 116.14 1nnv n GLU 67 Ca 0.14 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 1nnv n GLU 67 Cb 0.50 -4.87 -0.00 0.00 -0.02 0.00 0.00 31.44 27.05 1nnv n GLU 67 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1nnv n GLU 68 N 0.56 4.39 -4.58 3.49 1.02 -1.08 -5.01 120.64 119.42 1nnv n GLU 68 Ca 0.00 -0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.91 1nnv n GLU 68 Cb 0.43 -0.69 -0.16 0.00 -0.02 0.00 0.00 31.44 31.01 1nnv n GLU 68 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1nnv s TYR 69 N -1.37 1.25 -0.29 -0.32 2.02 -1.22 -2.75 117.35 114.66 1nnv s TYR 69 Ca 0.00 -0.32 -0.21 0.00 -0.37 0.00 0.00 57.07 56.17 1nnv s TYR 69 Cb 0.00 -0.85 -0.01 0.00 -0.40 0.00 0.00 41.96 40.70 1nnv s TYR 69 CO 0.00 -0.11 0.67 0.00 -1.57 0.00 0.00 175.55 174.54 1nnv s ALA 70 N 0.05 3.55 -0.10 3.71 0.00 0.77 -3.70 121.76 126.04 1nnv s ALA 70 Ca -0.02 -0.54 -0.02 0.00 0.00 0.00 0.00 51.96 51.38 1nnv s ALA 70 Cb -0.09 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 1nnv s ALA 70 CO 0.01 -1.04 -0.00 -1.83 0.00 0.00 0.00 175.76 172.90 1nnv s GLU 71 N 2.66 3.11 0.01 0.00 -1.05 -1.10 -0.20 118.70 122.13 1nnv s GLU 71 Ca 0.27 -0.42 0.02 0.00 -0.15 0.00 0.00 54.97 54.69 1nnv s GLU 71 Cb -0.15 -2.82 -0.01 0.00 -0.44 0.00 0.00 34.13 30.71 1nnv s GLU 71 CO 0.11 0.62 -0.08 0.54 0.95 0.00 0.00 175.26 177.40 1nnv s VAL 72 N -0.65 0.58 -0.01 1.83 0.11 -0.91 0.35 120.40 121.70 1nnv s VAL 72 Ca 0.10 -0.50 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 1nnv s VAL 72 Cb -0.12 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.17 1nnv s VAL 72 CO 0.02 0.03 0.04 0.26 -3.33 0.00 0.00 175.10 172.12 1nnv s TRP 73 N -0.46 3.18 -0.30 1.54 0.52 -0.00 -0.49 118.94 122.93 1nnv s TRP 73 Ca 0.00 0.15 0.00 0.00 0.02 0.00 0.00 56.10 56.27 1nnv s TRP 73 Cb -0.04 -1.71 0.09 0.00 -1.15 0.00 0.00 33.47 30.66 1nnv s TRP 73 CO 0.00 0.51 0.07 0.08 0.02 0.00 0.00 176.95 177.62 1nnv s VAL 74 N -1.13 1.25 0.00 4.03 1.01 -0.56 -2.39 120.40 122.61 1nnv s VAL 74 Ca 0.21 -1.55 0.00 0.00 0.00 0.00 0.00 61.98 60.64 1nnv s VAL 74 Cb -0.12 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.39 1nnv s VAL 74 CO 0.12 -0.57 0.00 0.61 0.00 0.00 0.00 175.10 175.26 1nnv n GLY 75 N 4.70 4.54 2.61 4.51 0.00 -1.24 0.17 105.19 120.49 1nnv n GLY 75 Ca -0.02 -1.40 -0.10 0.00 0.00 0.00 0.00 46.02 44.50 1nnv n GLY 75 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1nnv n LEU 76 N 0.00 0.76 -4.04 0.99 7.94 -0.99 -4.43 117.00 117.22 1nnv n LEU 76 Ca 0.00 -3.83 -0.23 0.00 -1.11 0.00 0.00 56.01 50.84 1nnv n LEU 76 Cb 0.00 0.41 0.11 0.00 0.53 0.00 0.00 43.42 44.47 1nnv n LEU 76 CO 0.00 1.71 -0.59 1.33 -1.11 0.00 0.00 177.39 178.73 1nnv n VAL 77 N -0.09 0.00 -1.35 1.96 0.24 -1.25 -4.81 118.33 113.03 1nnv n VAL 77 Ca 0.09 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1nnv n VAL 77 Cb 0.80 -0.34 0.00 0.00 -1.47 0.00 0.00 33.84 32.83 1nnv n VAL 77 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1nnv n ASN 78 N 0.25 0.00 0.13 -1.34 3.02 -1.25 -4.35 115.26 111.72 1nnv n ASN 78 Ca 0.02 -0.13 0.12 0.00 -0.03 0.00 0.00 54.58 54.55 1nnv n ASN 78 Cb 0.46 0.00 0.50 0.00 -0.61 0.00 0.00 39.78 40.13 1nnv n ASN 78 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1nnv n GLU 79 N -0.13 0.18 0.00 3.52 0.28 -1.26 -4.15 120.64 119.08 1nnv n GLU 79 Ca 0.00 0.46 0.00 0.00 -0.16 0.00 0.00 57.16 57.46 1nnv n GLU 79 Cb 0.00 -1.88 0.00 0.00 1.43 0.00 0.00 31.44 30.99 1nnv n GLU 79 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1nnv n GLN 80 N -2.22 0.00 0.00 3.44 10.64 -1.26 -5.07 117.38 122.91 1nnv n GLN 80 Ca 0.02 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.19 1nnv n GLN 80 Cb 0.19 -0.16 0.00 0.00 -0.86 0.00 0.00 30.24 29.41 1nnv n GLN 80 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 1nnv n ASP 81 N -0.42 0.00 -4.52 2.61 5.75 -1.26 -5.14 116.55 113.57 1nnv n ASP 81 Ca 0.00 0.00 -0.48 0.00 -0.01 0.00 0.00 54.79 54.30 1nnv n ASP 81 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 1nnv n ASP 81 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1nnv n GLU 82 N 0.00 0.78 -4.24 0.11 -0.58 -1.26 -4.75 120.64 110.70 1nnv n GLU 82 Ca 0.00 0.28 -0.33 0.00 -0.42 0.00 0.00 57.16 56.69 1nnv n GLU 82 Cb 0.00 -1.60 -0.16 0.00 -0.57 0.00 0.00 31.44 29.11 1nnv n GLU 82 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1nnv s MET 83 N -0.84 3.01 0.00 3.49 -2.45 -1.26 -3.90 119.30 117.34 1nnv s MET 83 Ca 0.68 -0.83 0.01 0.00 -1.25 0.00 0.00 55.69 54.30 1nnv s MET 83 Cb -0.87 -2.55 0.00 0.00 1.25 0.00 0.00 34.83 32.66 1nnv s MET 83 CO 0.56 -0.16 0.34 -0.40 1.05 0.00 0.00 175.02 176.41 1nnv n ASP 84 N 4.50 0.69 -3.46 1.11 5.75 -1.26 -4.90 116.55 118.97 1nnv n ASP 84 Ca -0.21 -0.84 -0.26 0.00 -0.01 0.00 0.00 54.79 53.47 1nnv n ASP 84 Cb 0.50 0.38 -0.12 0.00 -1.03 0.00 0.00 41.12 40.85 1nnv n ASP 84 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1nnv s ASP 85 N -0.45 2.68 0.14 -1.12 1.01 -1.26 -5.11 116.67 112.56 1nnv s ASP 85 Ca 0.01 -1.68 -0.15 0.00 0.71 0.00 0.00 52.55 51.44 1nnv s ASP 85 Cb 0.01 -0.12 -0.07 0.00 1.01 0.00 0.00 42.92 43.74 1nnv s ASP 85 CO 0.02 -0.35 0.56 0.54 0.21 0.00 0.00 175.17 176.15 1nnv s VAL 86 N 1.56 4.83 -0.07 -1.27 0.11 -1.26 -2.35 120.40 121.95 1nnv s VAL 86 Ca 0.14 0.91 0.03 0.00 -2.93 0.00 0.00 61.98 60.13 1nnv s VAL 86 Cb -0.19 -3.76 -0.25 0.00 -1.53 0.00 0.00 36.38 30.65 1nnv s VAL 86 CO -0.14 0.29 0.55 -0.26 -3.33 0.00 0.00 175.10 172.21 1nnv h PHE 87 N 3.69 0.25 -2.83 1.54 0.04 0.14 -3.46 116.94 116.30 1nnv h PHE 87 Ca -0.49 -0.18 0.05 0.00 2.80 0.00 0.00 57.97 60.15 1nnv h PHE 87 Cb 1.20 -0.01 -0.10 0.00 2.20 0.00 0.00 35.95 39.24 1nnv h PHE 87 CO 0.66 1.38 0.28 0.00 -0.60 0.00 0.00 178.31 180.03 1nnv s ALA 88 N -2.58 -1.50 0.04 2.45 0.00 -1.02 -4.49 121.76 114.65 1nnv s ALA 88 Ca -0.13 0.24 0.06 0.00 0.00 0.00 0.00 51.96 52.13 1nnv s ALA 88 Cb 0.07 0.79 -0.02 0.00 0.00 0.00 0.00 23.12 23.96 1nnv s ALA 88 CO 0.80 -0.88 -0.18 0.15 0.00 0.00 0.00 175.76 175.64 1nnv s LYS 89 N -3.68 1.25 0.30 0.00 1.02 -0.99 -1.49 119.74 116.16 1nnv s LYS 89 Ca 0.06 -0.86 0.06 0.00 0.02 0.00 0.00 55.97 55.25 1nnv s LYS 89 Cb -0.03 -1.32 -0.06 0.00 -0.52 0.00 0.00 37.83 35.90 1nnv s LYS 89 CO -0.04 0.34 -0.04 -0.06 -0.92 0.00 0.00 175.35 174.63 1nnv s PHE 90 N -0.79 2.04 -0.13 3.18 0.40 0.35 -1.97 117.98 121.06 1nnv s PHE 90 Ca 0.06 -0.71 -0.06 0.00 -0.60 0.00 0.00 56.93 55.62 1nnv s PHE 90 Cb -0.08 -1.21 0.06 0.00 0.51 0.00 0.00 43.02 42.29 1nnv s PHE 90 CO 0.01 0.28 0.29 -0.51 0.70 0.00 0.00 175.22 176.00 1nnv s LEU 91 N -3.49 -0.12 -0.03 -0.37 1.43 -0.77 -2.15 118.68 113.19 1nnv s LEU 91 Ca 0.31 0.65 0.05 0.00 -1.03 0.00 0.00 54.13 54.11 1nnv s LEU 91 Cb 0.05 0.85 -0.01 0.00 0.03 0.00 0.00 46.19 47.11 1nnv s LEU 91 CO 0.13 -0.21 -0.18 -0.63 0.23 0.00 0.00 176.35 175.69 1nnv s ILE 92 N 2.02 1.47 -0.08 -0.59 1.09 0.72 -2.42 121.20 123.40 1nnv s ILE 92 Ca -0.03 -0.77 -0.29 0.00 -1.10 0.00 0.00 60.65 58.46 1nnv s ILE 92 Cb -0.11 -1.24 -0.06 0.00 -1.06 0.00 0.00 42.46 39.99 1nnv s ILE 92 CO -0.09 0.42 1.83 -0.55 -0.10 0.00 0.00 174.94 176.45 1nnv s SER 93 N -0.21 6.36 0.31 3.58 0.15 -0.86 -0.16 113.70 122.86 1nnv s SER 93 Ca 0.02 2.20 -0.00 0.00 0.70 0.00 0.00 55.95 58.86 1nnv s SER 93 Cb -0.09 -2.53 0.51 0.00 -1.71 0.00 0.00 66.02 62.20 1nnv s SER 93 CO 0.01 -1.19 1.97 0.45 1.20 0.00 0.00 173.24 175.67 1nnv h HIS 94 N 10.95 0.98 -2.28 3.44 3.86 -1.81 -3.44 115.15 126.84 1nnv h HIS 94 Ca -0.42 0.02 -0.25 0.00 -1.16 0.00 0.00 60.37 58.57 1nnv h HIS 94 Cb 1.20 -0.33 0.15 0.00 1.06 0.00 0.00 27.41 29.49 1nnv h HIS 94 CO 0.92 0.59 -0.12 0.54 0.86 0.00 0.00 177.93 180.73 1nnv n ARG 95 N -4.43 -2.88 -0.06 2.45 5.12 -1.26 -4.76 116.66 110.84 1nnv n ARG 95 Ca 0.10 -0.99 -0.09 0.00 -1.93 0.00 0.00 57.85 54.93 1nnv n ARG 95 Cb 0.07 -1.55 -0.05 0.00 -1.16 0.00 0.00 32.46 29.77 1nnv n ARG 95 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1nnv n GLU 96 N -3.28 0.27 -2.63 5.56 4.07 -1.26 -4.95 120.64 118.41 1nnv n GLU 96 Ca 0.09 0.08 -0.43 0.00 -0.06 0.00 0.00 57.16 56.85 1nnv n GLU 96 Cb 0.41 -1.13 -0.02 0.00 -0.06 0.00 0.00 31.44 30.63 1nnv n GLU 96 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1nnv s GLU 97 N -2.22 4.33 0.04 5.31 2.12 -1.26 -4.57 118.70 122.45 1nnv s GLU 97 Ca -0.16 1.42 0.00 0.00 0.36 0.00 0.00 54.97 56.60 1nnv s GLU 97 Cb 0.05 -3.61 0.00 0.00 0.26 0.00 0.00 34.13 30.83 1nnv s GLU 97 CO 0.24 -0.50 0.00 -3.47 -0.54 0.00 0.00 175.26 170.99 1nnv n ASP 98 N 5.76 -7.39 -4.38 -1.70 2.03 -1.26 -5.01 116.55 104.59 1nnv n ASP 98 Ca 0.11 1.27 -0.33 0.00 0.52 0.00 0.00 54.79 56.36 1nnv n ASP 98 Cb 0.47 -4.02 -0.14 0.00 -0.72 0.00 0.00 41.12 36.71 1nnv n ASP 98 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1nnv s ARG 99 N -1.07 3.18 -0.04 -0.67 6.06 -1.26 -4.90 118.95 120.24 1nnv s ARG 99 Ca 0.00 -0.70 0.04 0.00 -2.50 0.00 0.00 55.73 52.57 1nnv s ARG 99 Cb 0.00 -2.56 -0.00 0.00 0.06 0.00 0.00 34.95 32.45 1nnv s ARG 99 CO 0.00 0.30 -0.15 -2.00 -2.50 0.00 0.00 175.30 170.95 1nnv s GLU 100 N 0.12 1.66 -0.00 5.12 2.56 -1.26 -4.98 118.70 121.91 1nnv s GLU 100 Ca -0.07 -0.55 -0.01 0.00 0.00 0.00 0.00 54.97 54.35 1nnv s GLU 100 Cb -0.15 -1.44 -0.00 0.00 2.00 0.00 0.00 34.13 34.53 1nnv s GLU 100 CO 0.05 0.20 0.02 -0.59 -0.56 0.00 0.00 175.26 174.38 1nnv s PHE 101 N 0.12 0.07 0.06 5.30 -0.12 -1.26 -2.04 117.98 120.12 1nnv s PHE 101 Ca -0.05 -0.14 0.00 0.00 -0.05 0.00 0.00 56.93 56.70 1nnv s PHE 101 Cb -0.11 -0.06 -0.03 0.00 -0.63 0.00 0.00 43.02 42.18 1nnv s PHE 101 CO 0.02 -0.10 -0.05 -3.38 -0.05 0.00 0.00 175.22 171.66 1nnv s HIS 102 N -0.60 0.59 -0.08 3.49 -3.43 -1.02 -4.98 115.29 109.26 1nnv s HIS 102 Ca -0.07 -0.82 -0.16 0.00 -0.80 0.00 0.00 55.06 53.21 1nnv s HIS 102 Cb -0.04 -0.38 0.04 0.00 -1.43 0.00 0.00 32.58 30.76 1nnv s HIS 102 CO -0.00 -0.23 0.40 0.54 -2.00 0.00 0.00 174.74 173.45 1nnv s VAL 103 N -2.89 0.03 -0.10 -5.38 0.11 -1.26 -1.84 120.40 109.06 1nnv s VAL 103 Ca 0.01 -0.21 -0.01 0.00 -2.93 0.00 0.00 61.98 58.84 1nnv s VAL 103 Cb 0.00 -0.64 -0.03 0.00 -1.53 0.00 0.00 36.38 34.19 1nnv s VAL 103 CO -0.05 -0.11 -0.06 0.27 -3.33 0.00 0.00 175.10 171.81 1nnv s ILE 104 N -0.60 3.72 0.00 7.04 -0.00 -0.83 -4.94 121.20 125.58 1nnv s ILE 104 Ca -0.07 -0.46 0.00 0.00 -0.00 0.00 0.00 60.65 60.12 1nnv s ILE 104 Cb -0.04 -2.55 0.00 0.00 -0.00 0.00 0.00 42.46 39.87 1nnv s ILE 104 CO 0.03 0.57 0.00 0.79 -0.00 0.00 0.00 174.94 176.33 1nnv n TRP 105 N 2.67 0.00 -3.55 1.37 7.02 -1.26 -2.35 117.44 121.33 1nnv n TRP 105 Ca -0.18 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.20 1nnv n TRP 105 Cb 0.53 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.38 1nnv n TRP 105 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1nnv s LYS 106 N 1.41 0.67 0.00 -0.99 2.20 -1.25 -4.66 119.74 117.12 1nnv s LYS 106 Ca 0.00 0.01 0.00 0.00 -0.36 0.00 0.00 55.97 55.62 1nnv s LYS 106 Cb 0.00 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.63 1nnv s LYS 106 CO 0.00 -0.24 0.37 0.36 -0.36 0.00 0.00 175.35 175.48